BMRB Entry 27281

Name: Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 beta subunit C domain mutant m23
Published: 2017-11-14

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27281

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 beta subunit C domain mutant m23 PubMed: 26056289

Deposition date: 2017-10-11 Original release date: 2017-11-14

Authors: Mallis, Robert; Arthanari, Haribabu; Reinherz, Ellis; Wagner, Gerhard

Citation: Mallis, Robert; Bai, Ke; Arthanari, Haribabu; Hussey, Rebecca; Li, Zhenhai; Chingozha, Loice; Duke-Cohan, Jonathan; Lu, Hang; Wang, Jia-Huai; Zhu, Cheng; Wagner, Gerhard; Reinherz, Ellis. "Pre-TCR ligand binding impacts thymocyte development before TCR expression." Proc. Natl. Acad. Sci. U.S.A. 112, 8373-8378 (2015).

Assembly members:
N15b-m23, polymer, 240 residues, 27221.50 Da.

Natural source: Common Name: house mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pet11d

Entity Sequences (FASTA):
N15b-m23: MDSGVVQSPRHIIKEKGGRS VLTCIPISGHSNVVWYQQTL GKELKFLIAHAAKVERDKGF LPSRFSVQQFDDYHSEMNMS ALELEDSAMYFCASSLRWGD EQYFGPGTRLTVLEDLRNVT PPKVSLREPSKAEIANKQKA TLQCQARGFFPDHVELSWWV NGKEVHSGVSTDPQAYKESN YSYSLSSRLRVSATFWHNPR NHFRCQVQFHGLSEEDKWPE GSPKPVTQNISAEAWGRADS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	598
15N chemical shifts	209
1H chemical shifts	209

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	N15 beta subunit C domain mutant m23 (Q48A/Y50A/E51A/F128R/V144Q/L146Q)	1

Entities:

Entity 1, N15 beta subunit C domain mutant m23 (Q48A/Y50A/E51A/F128R/V144Q/L146Q) 240 residues - 27221.50 Da.

1	MET	ASP	SER	GLY	VAL	VAL	GLN	SER	PRO	ARG
2	HIS	ILE	ILE	LYS	GLU	LYS	GLY	GLY	ARG	SER
3	VAL	LEU	THR	CYS	ILE	PRO	ILE	SER	GLY	HIS
4	SER	ASN	VAL	VAL	TRP	TYR	GLN	GLN	THR	LEU
5	GLY	LYS	GLU	LEU	LYS	PHE	LEU	ILE	ALA	HIS
6	ALA	ALA	LYS	VAL	GLU	ARG	ASP	LYS	GLY	PHE
7	LEU	PRO	SER	ARG	PHE	SER	VAL	GLN	GLN	PHE
8	ASP	ASP	TYR	HIS	SER	GLU	MET	ASN	MET	SER
9	ALA	LEU	GLU	LEU	GLU	ASP	SER	ALA	MET	TYR
10	PHE	CYS	ALA	SER	SER	LEU	ARG	TRP	GLY	ASP
11	GLU	GLN	TYR	PHE	GLY	PRO	GLY	THR	ARG	LEU
12	THR	VAL	LEU	GLU	ASP	LEU	ARG	ASN	VAL	THR
13	PRO	PRO	LYS	VAL	SER	LEU	ARG	GLU	PRO	SER
14	LYS	ALA	GLU	ILE	ALA	ASN	LYS	GLN	LYS	ALA
15	THR	LEU	GLN	CYS	GLN	ALA	ARG	GLY	PHE	PHE
16	PRO	ASP	HIS	VAL	GLU	LEU	SER	TRP	TRP	VAL
17	ASN	GLY	LYS	GLU	VAL	HIS	SER	GLY	VAL	SER
18	THR	ASP	PRO	GLN	ALA	TYR	LYS	GLU	SER	ASN
19	TYR	SER	TYR	SER	LEU	SER	SER	ARG	LEU	ARG
20	VAL	SER	ALA	THR	PHE	TRP	HIS	ASN	PRO	ARG
21	ASN	HIS	PHE	ARG	CYS	GLN	VAL	GLN	PHE	HIS
22	GLY	LEU	SER	GLU	GLU	ASP	LYS	TRP	PRO	GLU
23	GLY	SER	PRO	LYS	PRO	VAL	THR	GLN	ASN	ILE
24	SER	ALA	GLU	ALA	TRP	GLY	ARG	ALA	ASP	SER

Samples:

sample_1: N15b-m23, [U-13C; U-15N; U-2H], 0.4 mM; sodium chloride 150 mM; sodium phosphate 50 mM; D2O 10%; H2O 90%

sample_conditions_1: ionic strength: 250 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CARA v1.90, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker Avance 750 MHz
Bruker Avance 600 MHz
Varian INOVA 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts

1	MET	ASP	SER	GLY	VAL	VAL	GLN	SER	PRO	ARG
2	HIS	ILE	ILE	LYS	GLU	LYS	GLY	GLY	ARG	SER
3	VAL	LEU	THR	CYS	ILE	PRO	ILE	SER	GLY	HIS
4	SER	ASN	VAL	VAL	TRP	TYR	GLN	GLN	THR	LEU
5	GLY	LYS	GLU	LEU	LYS	PHE	LEU	ILE	ALA	HIS
6	ALA	ALA	LYS	VAL	GLU	ARG	ASP	LYS	GLY	PHE
7	LEU	PRO	SER	ARG	PHE	SER	VAL	GLN	GLN	PHE
8	ASP	ASP	TYR	HIS	SER	GLU	MET	ASN	MET	SER
9	ALA	LEU	GLU	LEU	GLU	ASP	SER	ALA	MET	TYR
10	PHE	CYS	ALA	SER	SER	LEU	ARG	TRP	GLY	ASP
11	GLU	GLN	TYR	PHE	GLY	PRO	GLY	THR	ARG	LEU
12	THR	VAL	LEU	GLU	ASP	LEU	ARG	ASN	VAL	THR
13	PRO	PRO	LYS	VAL	SER	LEU	ARG	GLU	PRO	SER
14	LYS	ALA	GLU	ILE	ALA	ASN	LYS	GLN	LYS	ALA
15	THR	LEU	GLN	CYS	GLN	ALA	ARG	GLY	PHE	PHE
16	PRO	ASP	HIS	VAL	GLU	LEU	SER	TRP	TRP	VAL
17	ASN	GLY	LYS	GLU	VAL	HIS	SER	GLY	VAL	SER
18	THR	ASP	PRO	GLN	ALA	TYR	LYS	GLU	SER	ASN
19	TYR	SER	TYR	SER	LEU	SER	SER	ARG	LEU	ARG
20	VAL	SER	ALA	THR	PHE	TRP	HIS	ASN	PRO	ARG
21	ASN	HIS	PHE	ARG	CYS	GLN	VAL	GLN	PHE	HIS
22	GLY	LEU	SER	GLU	GLU	ASP	LYS	TRP	PRO	GLU
23	GLY	SER	PRO	LYS	PRO	VAL	THR	GLN	ASN	ILE
24	SER	ALA	GLU	ALA	TRP	GLY	ARG	ALA	ASP	SER

1	MET	ASP	SER	GLY	VAL	VAL	GLN	SER	PRO	ARG
2	HIS	ILE	ILE	LYS	GLU	LYS	GLY	GLY	ARG	SER
3	VAL	LEU	THR	CYS	ILE	PRO	ILE	SER	GLY	HIS
4	SER	ASN	VAL	VAL	TRP	TYR	GLN	GLN	THR	LEU
5	GLY	LYS	GLU	LEU	LYS	PHE	LEU	ILE	ALA	HIS
6	ALA	ALA	LYS	VAL	GLU	ARG	ASP	LYS	GLY	PHE
7	LEU	PRO	SER	ARG	PHE	SER	VAL	GLN	GLN	PHE
8	ASP	ASP	TYR	HIS	SER	GLU	MET	ASN	MET	SER
9	ALA	LEU	GLU	LEU	GLU	ASP	SER	ALA	MET	TYR
10	PHE	CYS	ALA	SER	SER	LEU	ARG	TRP	GLY	ASP
11	GLU	GLN	TYR	PHE	GLY	PRO	GLY	THR	ARG	LEU
12	THR	VAL	LEU	GLU	ASP	LEU	ARG	ASN	VAL	THR
13	PRO	PRO	LYS	VAL	SER	LEU	ARG	GLU	PRO	SER
14	LYS	ALA	GLU	ILE	ALA	ASN	LYS	GLN	LYS	ALA
15	THR	LEU	GLN	CYS	GLN	ALA	ARG	GLY	PHE	PHE
16	PRO	ASP	HIS	VAL	GLU	LEU	SER	TRP	TRP	VAL
17	ASN	GLY	LYS	GLU	VAL	HIS	SER	GLY	VAL	SER
18	THR	ASP	PRO	GLN	ALA	TYR	LYS	GLU	SER	ASN
19	TYR	SER	TYR	SER	LEU	SER	SER	ARG	LEU	ARG
20	VAL	SER	ALA	THR	PHE	TRP	HIS	ASN	PRO	ARG
21	ASN	HIS	PHE	ARG	CYS	GLN	VAL	GLN	PHE	HIS
22	GLY	LEU	SER	GLU	GLU	ASP	LYS	TRP	PRO	GLU
23	GLY	SER	PRO	LYS	PRO	VAL	THR	GLN	ASN	ILE
24	SER	ALA	GLU	ALA	TRP	GLY	ARG	ALA	ASP	SER

1	MET	ASP	SER	GLY	VAL	VAL	GLN	SER	PRO	ARG
2	HIS	ILE	ILE	LYS	GLU	LYS	GLY	GLY	ARG	SER
3	VAL	LEU	THR	CYS	ILE	PRO	ILE	SER	GLY	HIS
4	SER	ASN	VAL	VAL	TRP	TYR	GLN	GLN	THR	LEU
5	GLY	LYS	GLU	LEU	LYS	PHE	LEU	ILE	ALA	HIS
6	ALA	ALA	LYS	VAL	GLU	ARG	ASP	LYS	GLY	PHE
7	LEU	PRO	SER	ARG	PHE	SER	VAL	GLN	GLN	PHE
8	ASP	ASP	TYR	HIS	SER	GLU	MET	ASN	MET	SER
9	ALA	LEU	GLU	LEU	GLU	ASP	SER	ALA	MET	TYR
10	PHE	CYS	ALA	SER	SER	LEU	ARG	TRP	GLY	ASP
11	GLU	GLN	TYR	PHE	GLY	PRO	GLY	THR	ARG	LEU
12	THR	VAL	LEU	GLU	ASP	LEU	ARG	ASN	VAL	THR
13	PRO	PRO	LYS	VAL	SER	LEU	ARG	GLU	PRO	SER
14	LYS	ALA	GLU	ILE	ALA	ASN	LYS	GLN	LYS	ALA
15	THR	LEU	GLN	CYS	GLN	ALA	ARG	GLY	PHE	PHE
16	PRO	ASP	HIS	VAL	GLU	LEU	SER	TRP	TRP	VAL
17	ASN	GLY	LYS	GLU	VAL	HIS	SER	GLY	VAL	SER
18	THR	ASP	PRO	GLN	ALA	TYR	LYS	GLU	SER	ASN
19	TYR	SER	TYR	SER	LEU	SER	SER	ARG	LEU	ARG
20	VAL	SER	ALA	THR	PHE	TRP	HIS	ASN	PRO	ARG
21	ASN	HIS	PHE	ARG	CYS	GLN	VAL	GLN	PHE	HIS
22	GLY	LEU	SER	GLU	GLU	ASP	LYS	TRP	PRO	GLU
23	GLY	SER	PRO	LYS	PRO	VAL	THR	GLN	ASN	ILE
24	SER	ALA	GLU	ALA	TRP	GLY	ARG	ALA	ASP	SER